Compound Identification
SMILES
CC1=CC=CC=C1CN1C=CC=C1\C=C\C(=O)CC(=O)C(O)=O
InChIKey
InChIKey=NSURDDQIZZAVJN-CMDGGOBGSA-N
Formula
C18H17NO4
Mass
311.337
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Medium-chain keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain keto acids and derivatives
Alternative Parents
3-Acylpyruvic acids Toluenes Amino fatty acids Beta-diketones Heterocyclic fatty acids Unsaturated fatty acids Substituted pyrroles Alpha-keto acids and derivatives Acryloyl compounds Alpha-hydroxy ketones Enones Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Medium-chain keto acid - 3-acylpyruvic acid - Gamma-keto acid - Amino fatty acid - Heterocyclic fatty acid - 1,3-diketone - Toluene - Alpha-keto acid - Monocyclic benzene moiety - Fatty acyl - Substituted pyrrole - Benzenoid - 1,3-dicarbonyl compound - Unsaturated fatty acid - Acryloyl-group - Alpha-hydroxy ketone - Enone - Heteroaromatic compound - Pyrrole - Alpha,beta-unsaturated ketone - Ketone - Azacycle - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.
External Descriptors
Not available